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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.48Å1.51Å
C01N03sing1.37Å1.39Å
C01N04doub1.32Å1.32Å
C02C05doub1.40Å1.43ÅAromatic
C02C06sing1.40Å1.39ÅAromatic
N03C07sing1.37Å1.45Å
N04C08sing1.34Å1.42Å
C05C09sing1.38Å1.43ÅAromatic
C06C10doub1.38Å1.40ÅAromatic
C07N11doub1.32Å1.28Å
C08N11sing1.34Å1.46Å
C07S12sing1.76Å1.70Å
C08S13doub1.71Å1.64Å
C09C14doub1.38Å1.38ÅAromatic
C10C14sing1.38Å1.40ÅAromatic
S12C15sing1.81Å1.76Å
C15C16sing1.53Å1.51Å
C15C17sing1.53Å1.48Å
C15C18sing1.53Å1.48Å
N03H19sing0.97Å1.00Å
C05H20sing1.08Å1.08Å
C06H21sing1.08Å1.08Å
C10H23sing1.08Å1.08Å
C16H25sing1.09Å1.10Å
C16H26sing1.09Å1.10Å
C16H27sing1.09Å1.10Å
C17H28sing1.09Å1.10Å
C17H30sing1.09Å1.10Å
C17H29sing1.09Å1.10Å
C18H33sing1.09Å1.10Å
C18H32sing1.09Å1.10Å
C18H31sing1.09Å1.10Å
C09H22sing1.08Å1.08Å
C14H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C02C01N03116.8°120.2°
C02C01N04122.7°120.2°
C01C02C05123.2°120.1°
C01C02C06119.0°120.1°
N03C01N04120.5°119.7°
C01N03C07118.0°119.3°
C01N03H19121.0°120.4°
C01N04C08120.8°120.4°
C05C02C06117.6°119.7°
C02C05C09121.1°119.8°
C02C05H20119.5°120.1°
C02C06C10119.7°119.9°
C02C06H21120.2°120.1°
N03C07N11123.9°119.6°
N03C07S12117.0°120.2°
C07N03H19121.0°120.3°
N04C08N11119.4°120.6°
N04C08S13123.8°119.7°
C05C09C14120.3°120.2°
C09C05H20119.4°120.1°
C05C09H22119.9°120.0°
C06C10C14123.6°120.2°
C10C06H21120.2°120.1°
C06C10H23118.2°120.0°
C07N11C08117.2°120.3°
N11C07S12119.1°120.2°
N11C08S13116.8°119.6°
C07S12C15115.3°100.0°
C09C14C10117.3°120.2°
C14C09H22119.8°119.9°
C09C14H24121.3°119.8°
C14C10H23118.2°119.9°
C10C14H24121.3°119.9°
S12C15C16108.9°109.5°
S12C15C17105.8°109.5°
S12C15C18106.5°109.5°
C16C15C17111.9°109.4°
C16C15C18111.5°109.5°
C15C16H25109.5°109.5°
C15C16H26109.5°109.4°
C15C16H27109.5°109.5°
C17C15C18111.9°109.5°
C15C17H28109.5°109.4°
C15C17H30109.5°109.4°
C15C17H29109.4°109.5°
C15C18H33109.5°109.5°
C15C18H32109.5°109.5°
C15C18H31109.5°109.5°
H25C16H26109.4°109.4°
H25C16H27109.5°109.5°
H26C16H27109.5°109.5°
H28C17H30109.4°109.4°
H28C17H29109.5°109.5°
H30C17H29109.5°109.5°
H33C18H32109.5°109.5°
H33C18H31109.4°109.5°
H32C18H31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C02C01N03N04179.1°179.7°
C01C02C05C06175.9°179.8°
C02C01N03C07179.9°180.0°
C02C01N04C08176.3°180.0°
C01C02C05C09179.1°180.0°
C01C02C06C10179.2°180.0°
C02C01N03H190.1°0.0°
C01C02C05H200.9°0.1°
C01C02C06H210.8°0.1°
N03C01C02C0520.3°180.0°
N03C01C02C06163.8°0.2°
C01N03C07H19180.0°180.0°
N03C01N04C082.8°0.2°
C01N03C07N112.0°0.1°
C01N03C07S12179.4°180.0°
N04C01C02C05158.8°0.3°
N04C01C02C0617.1°179.5°
N04C01N03C070.8°0.2°
C01N04C08N115.3°0.0°
C01N04C08S13177.3°180.0°
N04C01N03H19179.2°179.7°
C02C05C09H20180.0°179.9°
C05C02C06C104.7°0.2°
C02C05C09C145.6°0.0°
C05C02C06H21175.3°179.7°
C02C05C09H22174.4°180.0°
C06C02C05C095.0°0.2°
C02C06C10H21180.0°179.9°
C02C06C10C145.1°0.0°
C06C02C05H20175.0°179.7°
C02C06C10H23174.9°180.0°
N03C07N11S12178.6°179.9°
N03C07N11C080.5°0.3°
N03C07S12C1531.9°180.0°
N04C08N11C074.1°0.4°
N04C08N11S13177.6°180.0°
C05C09C14H22180.0°179.9°
C05C09C14C105.6°0.2°
C05C09C14H24174.4°180.0°
C06C10C14C095.5°0.2°
C06C10C14H23180.0°179.9°
C06C10C14H24174.5°179.9°
C07N11C08S13178.4°179.7°
N11C07S12C15149.4°0.0°
N11C07N03H19178.0°180.0°
C08N11C07S12178.1°179.7°
C07S12C15C1668.3°60.0°
C07S12C15C1752.2°60.0°
C07S12C15C18171.4°180.0°
S12C07N03H190.6°0.1°
C09C14C10H24180.0°179.7°
C14C09C05H20174.4°180.0°
C09C14C10H23174.5°179.7°
C14C10C06H21174.9°179.9°
C10C14C09H22174.4°179.8°
S12C15C16C17116.6°120.0°
S12C15C16C18117.2°120.0°
S12C15C17C18115.6°120.0°
S12C15C16H25180.0°59.9°
S12C15C16H2660.0°60.0°
S12C15C16H2760.0°180.0°
S12C15C17H28180.0°180.0°
S12C15C17H3060.0°60.0°
S12C15C17H2960.0°60.0°
S12C15C18H33180.0°60.0°
S12C15C18H3260.0°60.0°
S12C15C18H3160.0°180.0°
C16C15C17C18126.0°120.0°
C15C16H25H26120.0°119.9°
C15C16H25H27120.0°120.1°
C15C16H26H27120.0°120.0°
C16C15C17H2861.5°60.0°
C16C15C17H3058.5°180.0°
C16C15C17H29178.5°60.0°
C16C15C18H3361.3°60.0°
C16C15C18H32178.6°179.9°
C16C15C18H3158.6°59.9°
C17C15C16H2563.4°60.0°
C17C15C16H26176.6°180.0°
C17C15C16H2756.6°60.0°
C15C17H28H30120.0°119.9°
C15C17H28H29120.0°120.0°
C15C17H30H29120.0°120.1°
C17C15C18H3364.8°180.0°
C17C15C18H3255.2°60.0°
C17C15C18H31175.2°60.0°
C18C15C16H2562.8°180.0°
C18C15C16H2657.2°60.1°
C18C15C16H27177.2°60.0°
C18C15C17H2864.4°60.0°
C18C15C17H30175.6°59.9°
C18C15C17H2955.6°180.0°
C15C18H33H32120.0°120.1°
C15C18H33H31120.0°120.0°
C15C18H32H31120.0°120.0°
H20C05C09H225.6°0.1°
H21C06C10H235.1°0.0°
H23C10C14H245.5°0.0°
H25C16H26H27120.0°120.0°
H28C17H30H29120.0°120.0°
H33C18H32H31120.0°120.0°
H22C09C14H245.6°0.1°

222415

PDB entries from 2024-07-10

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